SCHEMBL7703320

SCHEMBL7703320

Clc1ccc2c(c1)[C@H](c1ccccn1)NCC2

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM5 Q9NZQ8 1/20 0.57
PRCP P42785 2/20 0.48
ALOX12 P18054 2/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 8/20 0.44
HTR2C P28335 8/20 0.44
HTR2B P41595 5/20 0.44
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
CNR1 P21554 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
HRH1 P35367 1/20 0.44
KCNH2 Q12809 1/20 0.44
KDM1A O60341 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7703317 1.00 TRPM5 (0.57) TRPM5PRCPALOX12GAAMAPT
SCHEMBL7703323 1.00 TRPM5 (0.57) TRPM5PRCPALOX12GAAMAPT
SCHEMBL7700195 0.83 PRCP (0.48) TRPM5PRCPGAAMAPTKDM1A
SCHEMBL7700199 0.83 PRCP (0.48) TRPM5PRCPGAAMAPTKDM1A
SCHEMBL5023257 0.82 RECQL (0.59) PRCPALOX12GAAMAPTHTR2A
SCHEMBL7702387 0.82 RECQL (0.59) PRCPALOX12GAAMAPTHTR2A
SCHEMBL7698338 0.82 RECQL (0.59) PRCPALOX12GAAMAPTHTR2A
SCHEMBL7700080 0.80 PRCP (0.57) PRCPALOX12GAAMAPTTDP1
SCHEMBL7700079 0.80 PRCP (0.57) PRCPALOX12GAAMAPTTDP1
Hydrochloric Acid SCHEMBL2794166 0.79 PRCP (0.56) PRCPALOX12GAAMAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901488-B1 2,4-DIAMINOPYRIMIDINE DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2002-11-06 EP disclosed
EP-0901488-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-17 EP disclosed
US-5866583-A Substituted 2,4-diaminopyrimidines HOFFMANN-LA ROCHE INC. (US) 1999-02-02 US disclosed
WO-1997043277-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1997-11-20 WO disclosed